3572-5987 Screening compound: 4-benzoyl-1-(3-chloro-4-methylphenyl)-3-hydroxy-5-(2-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one

3572-5987 Screening compound: 4-benzoyl-1-(3-chloro-4-methylphenyl)-3-hydroxy-5-(2-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
3572-5987 Screening compound: 4-benzoyl-1-(3-chloro-4-methylphenyl)-3-hydroxy-5-(2-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3572-5987
4-benzoyl-1-(3-chloro-4-methylphenyl)-3-hydroxy-5-(2-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3572-5987

Molecular Formula

C25H20ClNO4 (C25 H20 ClNO4)

Compound Name

4-benzoyl-1-(3-chloro-4-methylphenyl)-3-hydroxy-5-(2-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-benzoyl-1-(3-chloro-4-methylphenyl)-3-hydroxy-5-(2-methoxyphenyl)-25-dihydro-1H-pyrrol-2-one

SMILES

Cc(ccc(N(C(C(C(c1ccccc1)=O)=C1O)c(cccc2)c2OC)C1=O)c1)c1Cl

InChI

InChI=1S/C25H20ClNO4/c1-15-12-13-17(14-19(15)26)27-22(18-10-6-7-11-20(18)31-2)21(24(29)25(27)30)23(28)16-8-4-3-5-9-16/h3-14,22,29H,1-2H3/t22-/m1/s1

InChI Key

FUBHKXHBINXWTC-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD02040046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.333

Distribution Coefficient, logD

5.332

Water Solubility, LogSw

-5.57

Polar Surface Area

51.846

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

3572-5987 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3572-5987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3572-5987?
Check Price and Availability of 3572-5987, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3572-5987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3572-5987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3572-5987
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3572-5987 available by request